N-[2,4-Dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]thiourea

N-[2,4-Dioxo-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-3-yl]thiourea

In the two independent molecules in the asymmetric unit of the title compound, C13H9N3O2S, the azatricyclotridecapentaene ring system is approximately planar with r.m.s. deviations of 0.022 and 0.033 Å. The urea unit connected to the fused rings is approximately perpendicu...

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Bibliographic Details
Main Authors: Rashad Al-Salahi, Mohamed Al-Omar, Mohamed Marzouk, Seik Weng Ng
Format: Article
Language:English
Published: International Union of Crystallography 2012-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812021812
Description
Summary:In the two independent molecules in the asymmetric unit of the title compound, C13H9N3O2S, the azatricyclotridecapentaene ring system is approximately planar with r.m.s. deviations of 0.022 and 0.033 Å. The urea unit connected to the fused rings is approximately perpendicular [dihedral angles = 82.4 (1) and 82.7 (1)°]. In the crystal, the molecules associate by N—H...O hydrogen bonds, forming a chain running along the a axis. The crystal studied was a non-merohedral twin with a fractional contribution of 49.6 (1)% for the minor domain.
ISSN:1600-5368

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